DockMetrics
MOLECULAR DOCKING Inhibition Efficiency Index (IEI) and Selectivity Entropy Index (SEI)

Docking Result

CHEMBL3616891_dpp4

Atoms: 333
Models: 9
Best Energy: -8.753 kcal/mol

Binding Energies:
  • Pose 1: -8.753 kcal/mol
  • Pose 2: -8.509 kcal/mol
  • Pose 3: -8.502 kcal/mol
  • Pose 4: -8.489 kcal/mol
  • Pose 5: -8.351 kcal/mol
  • Pose 6: -8.32 kcal/mol
  • Pose 7: -8.287 kcal/mol
  • Pose 8: -8.27 kcal/mol
  • Pose 9: -8.183 kcal/mol
CHEMBL3616891_dpp4
Energy Plot
RMSD Scatter Plot